[ { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.17263846099e-10 "source-value" 4.17263846099 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "property-id" "tag:staff@noreply.openkim.org,2014-05-21:property/elastic-constants-isothermal-cubic-crystal-npt" "c44" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 66512452147.3 "source-std-uncert-value" 0.0018339826813103806 "source-value" 66.51245214729728 } "space-group" { "source-value" "Fm-3m" } "excess" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 30950281.8929 "source-std-uncert-value" 0.002593643180913312 "source-value" 0.030950281892934296 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "c12" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 90446530014.29999 "source-std-uncert-value" 0.005187286361930766 "source-value" 90.44653001431492 } "c11" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 153620969001.0 "source-std-uncert-value" 0.007335930725058386 "source-value" 153.62096900106386 } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "instance-id" 1 } { "short-name" { "source-value" [ "fcc" ] } "a" { "si-unit" "m" "source-unit" "angstrom" "si-value" 4.17263846099e-10 "source-value" 4.17263846099 } "temperature" { "si-unit" "K" "source-unit" "K" "si-value" 0.0 "source-value" 0 } "isothermal-bulk-modulus" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" 111504676343.0 "source-std-uncert-value" 0.004235401578829298 "source-value" 111.50467634323122 } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/bulk-modulus-isothermal-cubic-crystal-npt" "space-group" { "source-value" "Fm-3m" } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.5 0.5 ] [ 0.5 0.0 0.5 ] [ 0.5 0.5 0.0 ] ] } "cauchy-stress" { "si-unit" "kg / m s^2" "source-unit" "GPa" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] "source-value" [ 0 0 0 0 0 0 ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" ] } "instance-id" 2 } ]